50877-42-4

Basic information

• Product Name: 1-Benzyl-4-iodo-1H-pyrazole
• Synonyms: 1-BENZYL-4-IODO-1H-PYRAZOLE;1H-(N-BENZYL)-4-IODOPYRAZOLE;1-Benzyl-4-iodo-1H-pyraole;benzyl-4-iodo-1H-pyrazole;1H-pyrazole, 4-iodo-1-(phenylmethyl)-;4-Iodo-1-benzyl-1H-pyrazole, 95%;1-(benzyl)-4-iodo-pyrazole;4-iodo-1-(phenylmethyl)pyrazole
• CAS NO: 50877-42-4
• Molecular Formula: C₁₀H₉IN₂
• Molecular Weight: 284.1
• Product Categories: Halides;Pyrazoles & Triazoles;Halogenated;Organohalides;Pyrazole;Pyrazoles & Triazoles;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrazoles;PyrazolesHeterocyclic Building Blocks
• Mol File: 50877-42-4.mol
• Article Data: 16

Chemical Properties

• Melting Point: 63-66°C
• Boiling Point: 367.1 °C at 760 mmHg
• Flash Point: 175.8 °C
• Appearance: /
• Density: 1.67 g/cm³
• Vapor Pressure: 2.95E-05mmHg at 25°C
• Refractive Index: 1.667
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 0.11±0.10(Predicted)
• CAS DataBase Reference: 1-Benzyl-4-iodo-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzyl-4-iodo-1H-pyrazole(50877-42-4)
• EPA Substance Registry System: 1-Benzyl-4-iodo-1H-pyrazole(50877-42-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38
• Safety Statements: 26-36-39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 50877-42-4(Hazardous Substances Data)

Usage

General Description

1-Benzyl-4-iodo-1H-pyrazole is an organic compound that features a pyrazole ring with a benzyl and iodine substituent. It is a heterocyclic compound that is commonly used in organic synthesis as a building block for creating pharmaceuticals, agrochemicals, and other specialty chemicals. The benzyl group provides stability and reactivity to the molecule, while the iodine substituent can participate in various chemical reactions, making 1-Benzyl-4-iodo-1H-pyrazole a versatile and valuable chemical intermediate. Its structure and properties make it an important compound for creating diverse and complex organic molecules in the field of medicinal chemistry and chemical research.

InChI:InChI=1/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2

Upstream product

• 3469-69-0 4-iodopyrazole 
• 100-44-7 benzyl chloride 
• 10199-67-4 1-benzylpyrazole 
• 100-39-0 benzyl bromide 
• 7646-69-7 sodium hydride 
• 1007468-14-5 N-benzyl-4-iodopyrazole diacetate 
• 762-72-1 allyl-trimethyl-silane 
• 852362-22-2 (1-benzyl-1H-pyrazol-4-yl)boronic acid 
• 71759-89-2 4-iodoimidazole 

Downstream Products

• 1025751-74-9 3-(1-benzyl-1H-pyrazol-4-yl)-2-chloro-pyridine 
• 1266358-11-5 1-benzyl-4-(4-(1-benzyl-1H-pyrazol-4-yl)buta-1,3-diynyl)-1H-pyrazole 
• 1310452-48-2 1-benzyl-4-(2-methoxycarbonylvinyl)-1H-pyrazole 
• 761446-45-1 1-(phenylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 
• 1352655-02-7 tert-butyl 3-(1-benzyl-1H-pyrazol-4-yl)-5,6-dihydropyridine-1(2H)-carboxylate 
• 88095-61-8 1-benzyl-4-nitro-1H-pyrazole 
• 63874-95-3 1-benzyl-1H-pyrazole-4carboxaldehyde 
• 1326316-24-8 C₁₃H₁₄N₂O 
• 1326316-31-7 3,5-diallyl-2-benzyl-4-hydroxy-2H-pyrazole 
• 226989-35-1 1-benzyl-4-hydroxy-1H-pyrazole 
• 1326316-19-1 4-allyloxy-1-benzyl-1H-pyrazole 

Relevant articles and documents

Copper-catalyzed and additive free decarboxylative trifluoromethylation of aromatic and heteroaromatic iodides

A copper-catalyzed decarboxylative trifluoromethylation of (hetero)aromatic iodides has been developed. Importantly, this new copper-catalyzed reaction operates in the absence of any ligands and metal additives. The protocol shows good functional group tolerance and is compatible with heteroaromatic systems. The reaction proved scalable to a 15 mmol scale with increased yield. Finally, late-stage installation of the trifluoromethyl functionality afforded the N-trifluoroacetamide variant of the antidepressant agent, Prozac, demonstrating the applicability of the developed method.

Mechanism of Cu-catalyzed aryl boronic acid halodeboronation using electrophilic halogen: Development of a base-catalyzed iododeboronation for radiolabeling applications

An investigation into the mechanism of Cu-catalyzed aryl boronic acid halodeboronation using electrophilic halogen reagents is reported. Evidence is provided to show that this takes place via a boronate-driven ipso-substitution pathway and that Cu is not required for these processes to operate: General Lewis base catalysis is operational. This in turn allows the rational development of a general, simple, and effective base-catalyzed halodeboronation that is amenable to the preparation of 125I-labeled products for SPECT applications.

A 1-alkyl-pyrazol-4-boronic acid frequency method for the synthesis of ester

The invention belongs to the field of organic chemical synthesis and provides a synthetic method of 1-alkylpyrazole-4-boronic acid pinacol ester. The synthetic method comprises the following three steps: 1. reacting pyrazole with iodine and hydrogen peroxide to generate 4-iodopyrazole A; 2. reacting the 4-iodopyrazole with alkyl halide to obtain an intermediate B; 3. preparing a Grignard reagent of the raw material by using 1-alkyl-4-iodopyrazole as a raw material and adopting an isopropyl Grignard reagent exchange method at 0-30 DEG C, with BE001 as a boron reagent, and reacting to obtain the final product. The technological method is accessible in raw materials, simple and convenient to operate and lower in cost and is a proper method for preparing 1-alkylpyrazole-4-boronic acid pinacol ester compounds.